Published October 2018 | Version v1
Journal article Metadata-only

MD simulation-based study on the thermodynamic, structural and liquid properties of gold nanostructures

Creators

  • 1. Centre de Recherche en Énergie, Équipe des semi-conducteurs et technologie des capteurs d'environnement (STCE), Mohammed V University, Faculty of Sciences, B.P. 1014, Rabat (Morocco)
  • 2. Laboratory of Condensed Matter and Interdisciplinary Sciences(LaMScI), B.P. 1014, Faculty of Science-Mohammed V University, Rabat (Morocco)
  • 3. LCP-A2MC, Institut de Chimie, Physique et Matériaux Université de Lorraine, Metz (France)
  • 4. Group of Optoelectronic of Semiconductors and Nanomaterials, ENSET, Mohammed V University, Rabat (Morocco)

Description

Highlights: • Molecular dynamics utilizing the Embedded-Atom-Method (EAM) potential is used in this work. • Trend observed in the melting point of Au nanoparticles with respect to it size agree with experimental results. • Melting temperatures of Au nanoparticles are strongly depended on hating rates. • Dynamical properties of AuNP in liquid state are studied through the velocity autocorrelation function.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.matchemphys.2018.05.045

Additional details

Identifiers

DOI
10.1016/j.matchemphys.2018.05.045;
PII
S0254058418304504;

Publishing Information

Journal Title
Materials Chemistry and Physics
Journal Volume
218
Journal Page Range
p. 116-121
ISSN
0254-0584
CODEN
MCHPDR

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
49097171
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
GOLD; LIQUIDS; MELTING POINTS; MOLECULAR DYNAMICS METHOD; NANOPARTICLES; SIMULATION
Descriptors DEC
CALCULATION METHODS; ELEMENTS; FLUIDS; METALS; PARTICLES; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENTS; TRANSITION TEMPERATURE

Optional Information

Copyright
Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.